(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-3-carboxylate Traditional Name: (3S)-1-m-anisylpyrrolidin-1-ium-3-carboxylate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-17-12-4-2-3-10(7-12)8-14-6-5-11(9-14)13(15)16/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,16)/t11-/m0/s1